4-(methoxymethyl)-5-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 538034
• Molecular Formular: C14H17N3O5S
• Molecular Mass: 339.36688
• Monoisotopic Mass: 339.08889166
• SMILES: c1(c(c(on1)C)COC)C(=O)NCc1ccc(S(=O)(=O)N)cc1
• Canonical SMILES: COCc1c(C)onc1C(=O)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H17N3O5S/c1-9-12(8-21-2)13(17-22-9)14(18)16-7-10-3-5-11(6-4-10)23(15,19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20)
• InChIKey: KRPCLRDIAANVRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)-5-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 4-(methoxymethyl)-5-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-4-(methoxymethyl)-5-methylisoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.212988
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.2037924
• LogD (pH = 7.4): 0.20320849
• Log P: 0.20379984
• Molar Refractivity: 84.5904 cm^3
• Polarizability: 32.14395 Å^3
• Polar Surface Area: 124.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.89
• LOG S: -2.23
• Polar Surface Area: 124.52 Å^2
• Rotatable Bonds: 6